⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30118127 | 1.00 | — | — | |
| SCHEMBL30502841 | 0.83 | — | — | |
| SCHEMBL441101 | 0.67 | — | — | |
| SCHEMBL10513055 | 0.65 | — | — | |
| SCHEMBL29362249 | 0.65 | — | — | |
| SCHEMBL5799303 | 0.65 | — | — | |
| SCHEMBL2342848 | 0.62 | CHRNB2 (0.48) | — | |
| SCHEMBL29460883 | 0.62 | SIGMAR1 (0.43) | — | |
| SCHEMBL556889 | 0.62 | SIGMAR1 (0.43) | — | |
| SCHEMBL29438246 | 0.62 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021025407-A1 | OXO-PYRIDINE FUSION RING DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | 웰마커바이오 주식회사 | 2021-02-11 | — | — | WO | disclosed |
| US-20200353101-A1 | DNA-PK INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2020-11-12 | — | — | US | disclosed |
| WO-2019143678-A1 | DNA-PK INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-07-25 | — | — | WO | disclosed |
| US-7879848-B2 | good inhibition activity versus Dipeptidyl Peptidase-IV (DPP-IV); Diabetes mellitus, obesity; 3-[2S-amino-4-oxo-4-(3-trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-butyl]-oxazolidin-2-one; compounds having an optionally substituted lactam ring structure | LG LIFE SCIENCES, LTD. (KR) | 2011-02-01 | — | — | US | disclosed |